ethyl 5-[[5-(4-bromophenyl)furan-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[5-(4-bromophenyl)furan-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-(4-bromophenyl)-2-furoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C#N)C

InChI

InChI=1S/C20H15BrN2O4S/c1-3-26-20(25)17-11(2)14(10-22)19(28-17)23-18(24)16-9-8-15(27-16)12-4-6-13(21)7-5-12/h4-9H,3H2,1-2H3,(H,23,24)